Dynamics studies of the Si+(2P) + D2 reaction by using quantum and quasi-classical methods

Abstract

The dynamics calculations of the Si+ + D2 (v0 = 0, j0 = 0) → SiD+ + D reaction were carried out by using time-dependent quantum wave packet and quasi-classical trajectory methods. The integral cross sections were calculated and compared with the experimental data in the collision energy range from 1.0 to 10.0 eV. The results indicated that present values are in good agreement with the experimental data. In addition, reaction probabilities, the distribution of the SiD+ product and differential cross sections are also calculated. The differential cross section indicated that the “complex-forming” mechanism plays a dominant role in the low collision energy range and the abstraction mechanism dominates the reaction at high collision energies.